Vitas-M small molecule compound

ethyl 2-({[2-(2,5-dimethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Catalog ID
STK423836
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1cc(OC)ccc1OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C33H29N3O6S MW 595.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O6S/c1-5-42-33(39)28-19(2)29(31(38)34-20-11-7-6-8-12-20)43-32(28)36-30(37)23-18-26(35-25-14-10-9-13-22(23)25)24-17-21(40-3)15-16-27(24)41-4/h6-18H,5H2,1-4H3,(H,34,38)(H,36,37)
InChIKey
RBRBUQPSWJILIF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=CC(=C5)OC)OC
ethyl2(((2(25dimethoxyphenyl)quinolin4yl)carbonyl)amino)4methyl5(phenylcarbamoyl)thiophene3carboxylate
ETHYL2((2(25DIMETHOXYPHENYL)(4QUINOLYL))CARBONYLAMINO)4METHYL5(NPHENYLCARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL2((2(25DIMETHOXYPHENYL)QUINOLINE4CARBONYL)AMINO)4METHYL5(PHENYLCARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL5(ANILINOCARBONYL)2(((2(25DIMETHOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
InChI=1SC33H29N3O6Sc154233(39)2819(2)29(31(38)3420117681220)4332(28)3630(37)231826(3525141091322(23)25)241721(403)151627(24)414h618H5H214H3(H3438)(H3637)
MFCD02244757
ZINC000002769891
ZINC02769891
ZINC2769891

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.